Information card for entry 4311447

Structure parameters

• Formula: C40 H56 B2 Cl2 F4 O4 P4 Pd2
• Calculated formula: C40 H56 B2 Cl2 F4 O4 P4 Pd2
• SMILES: [Pd]12([Cl][Pd]3([Cl]1)[P@@](O[B](O[P@]3(c1ccccc1)C(C)(C)C)(F)F)(c1ccccc1)C(C)(C)C)[P@@](O[B](O[P@]2(c1ccccc1)C(C)(C)C)(F)F)(c1ccccc1)C(C)(C)C
• Title of publication: Chiral Bisphosphinite Metalloligands Derived from a P-Chiral Secondary Phosphine Oxide
• Authors of publication: Eddie Y. Y. Chan; Qian-Feng Zhang; Yiu-Keung Sau; Samuel M. F. Lo; Herman H. Y. Sung; Ian D. Williams; Richard K. Haynes; Wa-Hung Leung
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 4921 - 4926
• a: 17.4581 ± 0.0008 Å
• b: 16.678 ± 0.0008 Å
• c: 18.0894 ± 0.0009 Å
• α: 90°
• β: 115.654 ± 0.001°
• γ: 90°
• Cell volume: 4747.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No